2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide

C15H19N3O2 — CID 50963299

IUPAC2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(-n2cc(CCO)cn2)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(16)20)12-3-5-13(6-4-12)18-10-11(7-8-19)9-17-18/h3-6,9-10,19H,7-8H2,1-2H3,(H2,16,20)
InChIKeyUPJBAYFXGOEZPK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds5

About 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide

2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide (PubChem CID 50963299) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide
PubChem CID50963299
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(-n2cc(CCO)cn2)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(16)20)12-3-5-13(6-4-12)18-10-11(7-8-19)9-17-18/h3-6,9-10,19H,7-8H2,1-2H3,(H2,16,20)
InChIKeyUPJBAYFXGOEZPK-UHFFFAOYSA-N
XLogP1.17
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide (CID 50963299) is 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide is CC(C)(C(N)=O)c1ccc(-n2cc(CCO)cn2)cc1.
What is the InChIKey of 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is UPJBAYFXGOEZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,14(16)20)12-3-5-13(6-4-12)18-10-11(7-8-19)9-17-18/h3-6,9-10,19H,7-8H2,1-2H3,(H2,16,20).
What are the key properties of 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide?
2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 50963299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).